UCSF

ZINC31910298

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.74 8.09 -11.83 2 4 0 47 318.424 7
Mid Mid (pH 6-8) 3.74 10.31 -40.12 3 4 1 48 319.432 7
Lo Low (pH 4.5-6) 3.74 8.5 -26.2 3 4 1 48 319.432 7
Lo Low (pH 4.5-6) 3.74 10.73 -87.83 4 4 2 49 320.44 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )